SCHEMBL21789936

SCHEMBL21789936

CNc1nc2cc(C(N)=O)cc(O)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.33
NNMT P40261 1/20 0.33
LCK P06239 1/20 0.33
CHEK2 O96017 4/20 0.32
ALPL P05186 2/20 0.32
ALPG P10696 2/20 0.32
PLAA Q9Y263 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
BRD4 O60885 1/20 0.32
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21789938 0.78 PLAU (0.38) PTPN11LCKCHEK2CYP3A4
SCHEMBL21789703 0.73 STING1 (0.52)
SCHEMBL1581142 0.68 ERCC1 (0.52) CHEK2KMT2A
SCHEMBL30605006 0.67 PIM1 (0.38) PTPN11NNMTLCK
SCHEMBL22136289 0.65 FABP6 (0.42) CHEK2KMT2A
SCHEMBL8537859 0.63 KDM4E (0.39) PTPN11NNMTLCKALPLALPG
SCHEMBL13085935 0.63 AURKA (0.47) CHEK2KMT2A
SCHEMBL21783726 0.63 POLB (0.39) KMT2A
Carbamic Acid SCHEMBL6315744 0.62 HRH4 (0.49) CYP3A4KMT2A
SCHEMBL2671396 0.62 KDM4E (0.49) KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020042995-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND 杭州阿诺生物医药科技有限公司 2020-03-05 WO disclosed